D9L

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Summary

Name:4-(2-acetamidoethylsulfanyl)-4-oxidanylidene-butanoic acid
Formula:C8 H13 N O4 S
Formal charge:0
Molecular weight:219.258 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.74-(2-acetamidoethylsulfanyl)-4-oxidanylidene-butanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C8H13NO4S/c1-6(10)9-4-5-14-8(13)3-2-7(11)12/h2-5H2,1H3,(H,9,10)(H,11,12)
InChIKeyInChI1.03CFWQREQCJRMMCP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(=O)NCCSC(=O)CCC(O)=O
SMILESCACTVS3.385CC(=O)NCCSC(=O)CCC(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(=O)NCCSC(=O)CCC(=O)O
SMILESOpenEye OEToolkits2.0.7CC(=O)NCCSC(=O)CCC(=O)O
167518
PDB entries from 2020-08-12